methyl 3-(piperidin-1-ium-1-ylmethyl)-1H-indole-2-carboxylate

Systemtic Name: methyl 3-(piperidin-1-ium-1-ylmethyl)-1H-indole-2-carboxylate Openeye Name: methyl 3-(piperidin-1-ium-1-ylmethyl)-1H-indole-2-carboxylate CAS Name: 3-(1-piperidin-1-iumylmethyl)-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(piperidin-1-ium-1-ylmethyl)-1H-indole-2-carboxylate Traditional Name: 3-(piperidin-1-ium-1-ylmethyl)-1H-indole-2-carboxylic acid methyl ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)C[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O2/c1-20-16(19)15-13(11-18-9-5-2-6-10-18)12-7-3-4-8-14(12)17-15/h3-4,7-8,17H,2,5-6,9-11H2,1H3/p+1